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Case Study: Automation of Structure Verifi cation at Novartis
Novartis improved effi ciency by implementing automation. The company has implemented an automatic structure verifi cation (ASV) system developed by ACD/Labs, which uses NMR data to determine chemical structures. An internal study completed in 2020 found that each manual analysis took approximately 20 minutes to process manually, while automated verifi cation took 1-2 minutes.
Even in the cases where correction was required, time savings of 50-75% were observed. The effectiveness of an ASV will also improve over time as the training set is expanded.
Realising the Power of Your Analytical Data
There are many benefi ts from implementing technology, such as the Spectrus platform, including:
Simplify identifi cation of known and similar structures. Where have we seen these molecules before? How do we make them? Where did they come from? If somebody made this 20 years ago, how did they improve the yield? All this information is stored within a database that can be searched, by relevant chemical and analytical parameters, quickly and easily.
Use your experimental data to train spectral prediction algorithms. You can create a master database with all your chemical data or smaller training databases for libraries of similar compounds.
Share data and collaborate with others. Anything updated can be rolled out to everybody within the blink of an eye, so the system is always current and has the latest information.
As we enter an age of artifi cial intelligence and machine learning, data is more vital than ever. However, not all data is equally valuable. Organisations need to implement the necessary infrastructure to manage their data effectively, without burdening experimental scientists with endless fi le management and extra work.
Figure 3. Novartis is using Automated Structure Verifi cation (ASV) to increase the effi ciency of analytical chemists. Source: Novartis
The Spectrus platform is critical for getting the most out of your analytical data, combining multi-technique and vendor-neutral processing with automated workfl ows and state-of-the-art databasing technology.
For more information, visit:
www.acdlabs.com/products/spectrus-platform/
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www.labmate-online.com Mobile research-grade Raman microspectroscopy
Oxford Instruments WITec has unveiled alphaCART, a portable research-grade confocal Raman system, enabling researchers to conduct on-site chemical characterisation with the same speed, sensitivity, and resolution as WITec’s stationary instruments.
This innovative device combines a flexible, fibre-coupled Raman probe with a laser, spectrometer, and laptop computer, all housed in a sturdy portable case. It delivers excellent signal sensitivity, diffraction-limited resolution, and confocality. These capabilities allow for precise measurements both through and within transparent materials, making faint Raman signals visible even in high-background environments. Additionally, alphaCART includes integrated white-light illumination and a colour video camera for comprehensive sample assessment.
Researchers frequently conduct investigations in archaeology, the arts, cultural heritage, and geoscience in remote field settings or secure storage facilities. Similarly, experiments in materials science, process engineering, civil engineering, and gas analysis often take place outside traditional laboratory settings. alphaCART has been specifically designed to provide these researchers with uncompromised analytical capabilities while working in such challenging conditions.
According to WITec Product Manager Thomas Dieing: “alphaCART delivers the full performance of our industry-leading confocal Raman instruments on-site for samples too big, valuable or fragile to be moved. It can characterise paintings under protective glass, be brought into vaults for non-destructive analysis of priceless treasures, and peer through windows into reaction chambers for real-time chemical process monitoring.”
alphaCART utilises the modular design of the alpha300 microscope series, offering access to its complete range of upgrade options and accessories. It provides a choice of excitation lasers with different output wavelengths, including 532 nm, 633 nm, and 785 nm, with additional options available upon request. Users can also configure ultrahigh-throughput wavelength-optimised spectrometers, microscope objectives, and positioning hardware to suit their specific needs.
WITec’s alphaCART was unveiled to the public at the RAA 2023 International Conference on the Application of Raman Spectroscopy in Art and Archaeology, which took place in Athens, Greece from 6th to 9th September 2023.
More information online:
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